SCHEMBL4687750

SCHEMBL4687750

C=Cc1ccc(S(=O)(=O)Nc2cnc(N3CCN(CCC)[C@@H](C)C3)nc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KCNH2 Q12809 3/20 0.36
HRH3 Q9Y5N1 3/20 0.36
SIGMAR1 Q99720 2/20 0.36
GAA P10253 3/20 0.35
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
GPR119 Q8TDV5 2/20 0.34
HTT P42858 1/20 0.34
JAK3 P52333 2/20 0.34
MAPT P10636 1/20 0.34
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN5 P54829 1/20 0.33
MLNR O43193 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4687760 1.00 KMT2A (0.39) KMT2AALDH1A1KCNH2HRH3SIGMAR1
SCHEMBL4689873 0.89 ALDH1A1 (0.50) KMT2AALDH1A1KCNH2HRH3SMN1; SMN2
SCHEMBL4689876 0.89 ALDH1A1 (0.50) KMT2AALDH1A1KCNH2HRH3SMN1; SMN2
SCHEMBL4686780 0.89 KMT2A (0.51) KMT2AALDH1A1KCNH2HRH3GAA
SCHEMBL4686785 0.89 KMT2A (0.51) KMT2AALDH1A1KCNH2HRH3GAA
SCHEMBL4690041 0.86 HTR6 (0.42) KMT2AALDH1A1KCNH2SIGMAR1KDM4E
SCHEMBL4690045 0.86 HTR6 (0.42) KMT2AALDH1A1KCNH2SIGMAR1KDM4E
SCHEMBL4689850 0.79 DRD2 (0.47) KMT2AALDH1A1KCNH2SIGMAR1KDM4E
SCHEMBL4689843 0.79 DRD2 (0.47) KMT2AALDH1A1KCNH2SIGMAR1KDM4E
SCHEMBL4690178 0.78 DRD2 (0.44) KMT2AALDH1A1KCNH2SIGMAR1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476275-B2 N-[piperazinyl hetaryl]arylsufonamide compounds with affinity for the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2013-07-02 US claimed
US-8476275-B2 N-[piperazinyl hetaryl]arylsufonamide compounds with affinity for the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2013-07-02 US disclosed
US-20110294817-A1 N-[PIPERAZINYL HETARYL]ARYLSUFONAMIDE COMPOUNDS WITH AFFINITY FOR THE DOPAMINE D3 RECEPTOR ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2011-12-01 US disclosed
EP-1613596-B1 N-[(PIPERAZINYL)HETARYL]ARYLSULFONAMIDE COMPOUNDS WITH AFFINITY FOR THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2008-03-12 EP disclosed
US-7320979-B2 N-[(piperazinyl)hetaryl]arylsulfonamide compounds ABBOTT GMBH & CO. KG. (DE) 2008-01-22 US disclosed
US-20070054918-A1 N-[(piperazinyl)hetary]arylsulfonamide compounds with affinity for the dopamine d3 receptor ABBOTT GMBH & CO. KG (DE) 2007-03-08 US disclosed
US-20060160809-A1 N-[(piperazinyl)hetaryl]arylsulfonamide compounds ABBOTT GMBH & CO. KG. 2006-07-20 US disclosed
EP-1613596-A1 N-[(PIPERAZINYL)HETARYL]ARYLSULFONAMIDE COMPOUNDS WITH AFFINITY FOR THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2006-01-11 EP disclosed
WO-2004089905-A1 N-[(PIPERAZINYL)HETARYL]ARYLSULFONAMIDE COMPOUNDS WITH AFFINITY FOR THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2004-10-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110294817-A1 N-[PIPERAZINYL HETARYL]ARYLSUFONAMIDE COMPOUNDS WITH AFFINITY FOR THE DOPAMINE D3 RECEPTOR DRD2, DRD3, TACR1 KMT2A 4228/4885ALDH1A1 1724/4885KCNH2 289/4885
US-20070054918-A1 N-[(piperazinyl)hetary]arylsulfonamide compounds with affinity for the dopamine d3 receptor PTGDR, TACR1, TACR2 KMT2A 4198/4885ALDH1A1 1775/4885KCNH2 422/4885
US-20060160809-A1 N-[(piperazinyl)hetaryl]arylsulfonamide compounds CBR3, CNR2, CNR1 KMT2A 4399/4885ALDH1A1 1505/4885KCNH2 274/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.